ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(2-nitro-1H-imidazol-1-yl)acetyl]-1-piperazinecarboxylate | C14H21N5O5

2-Methyl-2-propanyl 4-[(2-nitro-1H-imidazol-1-yl)acetyl]-1-piperazinecarboxylate

  • Molecular FormulaC14H21N5O5
  • Average mass339.347 Da
  • Monoisotopic mass339.154266 Da
  • ChemSpider ID26515185

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Piperazinecarboxylic acid, 4-[2-(2-nitro-1H-imidazol-1-yl)acetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[(2-nitro-1H-imidazol-1-yl)acetyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(2-nitro-1H-imidazol-1-yl)acetyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[2-(2-Nitro-1H-imidazol-1-yl)acétyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-(T-BUTOXYCARBONYL)-4-(2-NITROIMIDAZOL-1-YLACETYL)PIPERAZINE
131339-74-7 [RN]
1-Piperazinecarboxylicacid, 4-[2-(2-nitro-1H-imidazol-1-yl)acetyl]-, 1,1-dimethylethyl ester
1-Piperazinecarboxylicacid,4-[2-(2-nitro-1H-imidazol-1-yl)acetyl]-,1,1-dimethylethyl ester
tert-Butyl 4-[(2-nitro-1H-imidazol-1-yl)acetyl]piperazine-1-carboxylate
TERT-BUTYL 4-[2-(2-NITRO-1H-IMIDAZOL-1-YL)ACETYL]PIPERAZINE-1-CARBOXYLATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 557.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.0±3.0 kJ/mol
Flash Point: 291.2±32.9 °C
Index of Refraction: 1.609
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 0.92
ACD/BCF (pH 5.5): 2.94
ACD/KOC (pH 5.5): 75.41
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 2.94
ACD/KOC (pH 7.4): 75.41
Polar Surface Area: 113 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 247.2±7.0 cm3

Click to predict properties on the Chemicalize site


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